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Compound Detail

CHEMBL2172721

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COc1ccc(C(=O)N(C)/N=C/c2ccc3c(c2)OCO3)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2172721
Phase Preclinical
Structure Type MOL
InChI Key YVBGRDSTNOEJOY-VXLYETTFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
2.54
ALogP
6
HBA
0
HBD
69.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O5
MW 342.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
22891752 10.1021/jm300514y Unchecked 2

Data from ChEMBL 36 via Core Engine